5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C10H17F3N4O3S — CID 61105898

IUPAC5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17F3N4O3S/c1-2-20-5-3-4-17(7-10(11,12)13)21(18,19)8-6-15-16-9(8)14/h6H,2-5,7H2,1H3,(H3,14,15,16)
InChIKeyPARYKWNFDBYRRP-UHFFFAOYSA-N
MW330.33 g/mol
LogP0.97
Rot. Bonds8

About 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61105898) has the molecular formula C10H17F3N4O3S and a molecular weight of 330.33 g/mol. Its IUPAC name is 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID61105898
Molecular FormulaC10H17F3N4O3S
Molecular Weight330.33 g/mol
Exact Mass330.10
IUPAC Name5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCOCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17F3N4O3S/c1-2-20-5-3-4-17(7-10(11,12)13)21(18,19)8-6-15-16-9(8)14/h6H,2-5,7H2,1H3,(H3,14,15,16)
InChIKeyPARYKWNFDBYRRP-UHFFFAOYSA-N
XLogP0.97
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 61105898) is 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCOCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PARYKWNFDBYRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O3S/c1-2-20-5-3-4-17(7-10(11,12)13)21(18,19)8-6-15-16-9(8)14/h6H,2-5,7H2,1H3,(H3,14,15,16).
What are the key properties of 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 330.33 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61105898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).